2-(4-amino-2-chlorophenoxy)-5-chlorophenol

C12H9Cl2NO2 — CID 6852148

IUPAC2-(4-amino-2-chlorophenoxy)-5-chlorophenol
SMILESNc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO2/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,16H,15H2
InChIKeyMCYCMAVHVQGDNE-UHFFFAOYSA-N
MW270.12 g/mol
LogP4.07
Rot. Bonds2

About 2-(4-amino-2-chlorophenoxy)-5-chlorophenol

2-(4-amino-2-chlorophenoxy)-5-chlorophenol (PubChem CID 6852148) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenoxy)-5-chlorophenol.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenoxy)-5-chlorophenol
PubChem CID6852148
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name2-(4-amino-2-chlorophenoxy)-5-chlorophenol
SMILESNc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO2/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,16H,15H2
InChIKeyMCYCMAVHVQGDNE-UHFFFAOYSA-N
XLogP4.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenoxy)-5-chlorophenol?
The IUPAC name of 2-(4-amino-2-chlorophenoxy)-5-chlorophenol (CID 6852148) is 2-(4-amino-2-chlorophenoxy)-5-chlorophenol.
What is the SMILES notation for 2-(4-amino-2-chlorophenoxy)-5-chlorophenol?
The canonical SMILES for 2-(4-amino-2-chlorophenoxy)-5-chlorophenol is Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1.
What is the InChIKey of 2-(4-amino-2-chlorophenoxy)-5-chlorophenol?
The InChIKey is MCYCMAVHVQGDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,16H,15H2.
What are the key properties of 2-(4-amino-2-chlorophenoxy)-5-chlorophenol?
2-(4-amino-2-chlorophenoxy)-5-chlorophenol has a molecular weight of 270.12 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenoxy)-5-chlorophenol is sourced from PubChem (CID 6852148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).